Products for Research Use Only
RegisterLogin

Glabralide C

CAT: 0926-VLD38885-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-VLD38885-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2170388-85-7
Smiles
CC (C) C1CC2C (C3=CC (=CC (=C3OC2 (C=C1) C) CC=C (C) CCC=C (C) C) O) C (=O) OC
Molecular Formula
C29H40O4
Molecular Weight
452.6 g/mol
Controlled
No

Chemical Information

Glabralide C
CAS Number2170388-85-7
PubChem CID156599113
IUPAC Namemethyl (2R,4aR,9S,9aR)-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-4a-methyl-2-propan-2-yl-1,2,9,9a-tetrahydroxanthene-9-carboxylate
Molecular FormulaC29H40O4
Molecular Weight452.6
XLogP7.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity774
SMILES
CC(C)[C@H]1C[C@@H]2[C@@H](C3=CC(=CC(=C3O[C@@]2(C=C1)C)C/C=C(\C)/CCC=C(C)C)O)C(=O)OC
InChI
InChI=1S/C29H40O4/c1-18(2)9-8-10-20(5)11-12-22-15-23(30)17-24-26(28(31)32-7)25-16-21(19(3)4)13-14-29(25,6)33-27(22)24/h9,11,13-15,17,19,21,25-26,30H,8,10,12,16H2,1-7H3/b20-11+/t21-,25-,26-,29-/m1/s1
InChIKey
MQIWJNPHYIQWGN-FQPCWDACSA-N
Chemical Structure
2D Structure
2D structure of Glabralide C
CAS: 2170388-85-7
CID: 156599113
Formula: C29H40O4
MW: 452.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass452.29265975
Monoisotopic Mass452.29265975
Topological Polar Surface Area55.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
UDD28910-01Glabralide A
VLD38884-01Glabralide B
KAA40133-01Glabrolide
CRB1110654-01AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01GGG-C (AF647) C-Terminal Sortagging
ZAA26005-01C-Cyclopentyl-C-phenyl-methylamine hydrochloride
ZCA04871-01Lancifolin C
FC52284-01C-390
FBA48927-01Alisol C
KPC04662-01Aspidostomide C

Alternative Products

CatalogName
MBS5761097Glabralide A
HY-N8324Glabralide C
GTR19182992Glabralide B

Popular Products